SCHEMBL7736280

SCHEMBL7736280

CC(C)(C)OC(=O)N(C(=O)c1coc([C@H](N)CCc2ccccc2)n1)c1ccc2ccccc2c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 2/20 0.34
METAP2 P50579 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SLC7A5 Q01650 1/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP1 P53582 1/20 0.32
CTSB P07858 1/20 0.32
C3AR1 Q16581 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7732173 0.89 TRPM8 (0.36) DAGLASLC7A5SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL7732052 0.75 RAB9A (0.43) METAP2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7732335 0.73 CES1 (0.49) DAGLAMETAP2KMT2AMETAP1
SCHEMBL7735836 0.72 SLC1A3 (0.40) METAP2CTSSALDH1A1KMT2ACTSB
SCHEMBL7861048 0.71 C3AR1 (0.44) CTSSCTSKMEN1ALDH1A1KMT2A
SCHEMBL7736282 0.68 RAB9A (0.39) METAP2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL21543942 0.68 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL30430246 0.68 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7734004 0.68 RAB9A (0.42) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7732103 0.68 RAB9A (0.53) MEN1ALDH1A1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed